2-methyl-N-[[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine

C10H15F3N2S — CID 62402707

IUPAC2-methyl-N-[[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
SMILESCC(C)CNCc1cnc(CC(F)(F)F)s1
InChIInChI=1S/C10H15F3N2S/c1-7(2)4-14-5-8-6-15-9(16-8)3-10(11,12)13/h6-7,14H,3-5H2,1-2H3
InChIKeyTZWAIFTUVNSCMJ-UHFFFAOYSA-N
MW252.30 g/mol
LogP2.99
Rot. Bonds5

About 2-methyl-N-[[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine

2-methyl-N-[[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine (PubChem CID 62402707) has the molecular formula C10H15F3N2S and a molecular weight of 252.30 g/mol. Its IUPAC name is 2-methyl-N-[[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
PubChem CID62402707
Molecular FormulaC10H15F3N2S
Molecular Weight252.30 g/mol
Exact Mass252.09
IUPAC Name2-methyl-N-[[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
SMILESCC(C)CNCc1cnc(CC(F)(F)F)s1
InChIInChI=1S/C10H15F3N2S/c1-7(2)4-14-5-8-6-15-9(16-8)3-10(11,12)13/h6-7,14H,3-5H2,1-2H3
InChIKeyTZWAIFTUVNSCMJ-UHFFFAOYSA-N
XLogP2.99
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine (CID 62402707) is 2-methyl-N-[[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine is CC(C)CNCc1cnc(CC(F)(F)F)s1.
What is the InChIKey of 2-methyl-N-[[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
The InChIKey is TZWAIFTUVNSCMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2S/c1-7(2)4-14-5-8-6-15-9(16-8)3-10(11,12)13/h6-7,14H,3-5H2,1-2H3.
What are the key properties of 2-methyl-N-[[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
2-methyl-N-[[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine has a molecular weight of 252.30 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine is sourced from PubChem (CID 62402707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).